Benzoxazepines

Description:

Organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).

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  1. 1-Piperazinepropanoic acid, 4-dibenz(b,f)(1,4)oxazepin-11-yl-alpha,alpha-dimethyl-
    CAS: 879409-35-5 Formula: C22H25N3O3 Molecular Weight: 379.5
    Out of Stock Item #: P1281246
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    IUPAC Name
    3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethylpropanoic acid
    SMILES
    CC(C)(CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)O
    InChIKey
    UEFWDVMEDFCHGW-UHFFFAOYSA-N
    InChI
    1S/C22H25N3O3/c1-22(2,21(26)27)15-24-11-13-25(14-12-24)20-16-7-3-5-9-18(16)28-19-10-6-4-8-17(19)23-20/h3-10H,11-15H2,1-2H3,(H,26,27)
  2. 2-Chloro-11-(4-methyl-1-piperazinyl-D8)-dibenz[b,f][1,4]oxazepine
    CAS: 1189455-63-7 PubChem CID: 46782087
    Out of Stock Item #: C936918
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    IUPAC Name
    8-chloro-6-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
    SMILES
    CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
    InChIKey
    XJGVXQDUIWGIRW-JNJBWJDISA-N
    InChI
    1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3/i8D2,9D2,10D2,11D2
  3. 3,4-Dihydrobenzo[f][1,4]oxazepin-5(2H)-one
    CAS: 703-51-5 PubChem CID: 340629 Formula: C9H9NO2 Molecular Weight: 163.18
    Out of Stock Item #: D697447
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    IUPAC Name
    3,4-dihydro-2H-1,4-benzoxazepin-5-one
    SMILES
    C1COC2=CC=CC=C2C(=O)N1
    InChIKey
    FGKQHXRVPDLTDF-UHFFFAOYSA-N
    InChI
    1S/C9H9NO2/c11-9-7-3-1-2-4-8(7)12-6-5-10-9/h1-4H,5-6H2,(H,10,11)
  4. 2,3,4,5-Tetrahydrobenzo[b][1,4]oxazepine
    CAS: 7160-97-6 EC Number: 828-742-8 PubChem CID: 577752 Formula: C9H11NO Molecular Weight: 149.19
    Out of Stock Item #: T698143
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    IUPAC Name
    2,3,4,5-tetrahydro-1,5-benzoxazepine
    SMILES
    C1CNC2=CC=CC=C2OC1
    InChIKey
    HYLJXJSMGIOVIK-UHFFFAOYSA-N
    InChI
    1S/C9H11NO/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-2,4-5,10H,3,6-7H2
  5. 8-nitro-3,4-dihydro-2H-1,4-benzoxazepin-5-one
    CAS: 1022974-20-4 PubChem CID: 57853781 Formula: C9H8N2O4 Molecular Weight: 208.17
    Out of Stock Item #: N681597
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    Technical Identifiers
    SMILES
    C1COC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1
    InChIKey
    UXBRMBQHYAHMLD-UHFFFAOYSA-N
    InChI
    1S/C9H8N2O4/c12-9-7-2-1-6(11(13)14)5-8(7)15-4-3-10-9/h1-2,5H,3-4H2,(H,10,12)
  6. 7-bromo-1,5-dihydro-4,1-benzoxazepin-2-one
    CAS: 886756-67-8 PubChem CID: 74787774 Formula: C9H8BrNO2 Molecular Weight: 242.07
    Out of Stock Item #: B682082
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    Technical Identifiers
    SMILES
    C1C2=C(C=CC(=C2)Br)NC(=O)CO1
    InChIKey
    WSNHVMZMIOFLKS-UHFFFAOYSA-N
    InChI
    1S/C9H8BrNO2/c10-7-1-2-8-6(3-7)4-13-5-9(12)11-8/h1-3H,4-5H2,(H,11,12)
  7. Piclozotan
    CAS: 182415-09-4 PubChem CID: 9801640 Formula: C23H24ClN3O2 Molecular Weight: 409.9
    Out of Stock Item #: P671036
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    IUPAC Name
    3-chloro-4-[4-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one
    SMILES
    C1CN(CC=C1C2=CC=CC=N2)CCCCN3C(=COC4=CC=CC=C4C3=O)Cl
    InChIKey
    URMTUEWUIGOJBW-UHFFFAOYSA-N
    InChI
    1S/C23H24ClN3O2/c24-22-17-29-21-9-2-1-7-19(21)23(28)27(22)14-6-5-13-26-15-10-18(11-16-26)20-8-3-4-12-25-20/h1-4,7-10,12,17H,5-6,11,13-16H2
    Synonyms
    Piclozotan | 3-CHLORO-4-(4-(1',2',3',6'-TETRAHYDRO-(2,4'-BIPYRIDIN)-1'-YL)BUTYL)-1,4-BENZOXAZEPIN-5(4H)-ONE | SUN-N40...
  8. Lapaquistat
    CAS: 189059-71-0 PubChem CID: 9960389 Formula: C31H39ClN2O8 Molecular Weight: 603.10
    Out of Stock Item #: L648651
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    IUPAC Name
    2-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid
    SMILES
    CC(C)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC)CO
    InChIKey
    HDGUKVZPMPJBFK-LEAFIULHSA-N
    InChI
    1S/C31H39ClN2O8/c1-31(2,18-35)17-34-23-9-8-20(32)15-22(23)28(21-6-5-7-24(40-3)29(21)41-4)42-25(30(34)39)16-26(36)33-12-10-19(11-13-33)14-27(37)38/h5-9show more
    Synonyms
    SCHEMBL227295 | 2-(1-(2-((3R,5S)-1-(3-hydroxy-2,2-dimethylpropyl)-7-chloro-5-(2,3- dimethoxyphenyl)-2-oxo-1,2,3,5-tet...
  9. PBOX 6
    CAS: 290814-68-5 PubChem CID: 9865511 Formula: C25H20N2O3 Molecular Weight: 396.44
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    Out of Stock Item #: P648174
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    IUPAC Name
    (6-naphthalen-1-ylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N,N-dimethylcarbamate
    SMILES
    CN(C)C(=O)OC1=C(OC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC5=CC=CC=C54
    InChIKey
    SOIZAFVNIXAZFQ-UHFFFAOYSA-N
    InChI
    1S/C25H20N2O3/c1-26(2)25(28)30-24-21-14-8-16-27(21)20-13-5-6-15-22(20)29-23(24)19-12-7-10-17-9-3-4-11-18(17)19/h3-16H,1-2H3
    Synonyms
    PBOX-6 | 7-[(N,N-dimethylcarbamoyl)oxy]-6-(naphth-1-yl)pyrrolo[2,1-d][1,5]benzoxazepine | MS-26682 | HY-U00446 | Carb...
  10. Eleclazine hydrochloride
    CAS: 1448754-43-5 PubChem CID: 90479986 Formula: C21H17ClF3N3O3 Molecular Weight: 451.8
    Out of Stock Item #: E651613
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    IUPAC Name
    4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one;hydrochloride
    SMILES
    C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F)C(=O)N1CC4=NC=CC=N4.Cl
    InChIKey
    ZRYHNOXHGYUHFF-UHFFFAOYSA-N
    InChI
    1S/C21H16F3N3O3.ClH/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19;/h1-9,12H,10-11,13H2;1H
    Synonyms
    BS-15137 | 1622226-81-6 | 4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one;...
  11. TPOP146
    CAS: 2018300-62-2 PubChem CID: 122172830 Formula: C27H35N3O5 Molecular Weight: 481.58
    Out of Stock Item #: T650326
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    IUPAC Name
    7-(3,5-dimethoxyphenyl)-N-[(3S)-1-methylpiperidin-3-yl]-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepine-9-carboxamide
    SMILES
    CCC(=O)N1CCOC2=C(C1)C=C(C=C2C(=O)NC3CCCN(C3)C)C4=CC(=CC(=C4)OC)OC
    InChIKey
    CUJLWYCUPPPASA-NRFANRHFSA-N
    InChI
    1S/C27H35N3O5/c1-5-25(31)30-9-10-35-26-20(16-30)11-18(19-12-22(33-3)15-23(13-19)34-4)14-24(26)27(32)28-21-7-6-8-29(2)17-21/h11-15,21H,5-10,16-17H2,1-4show more
  12. tert-butyl 7-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate
    CAS: 740842-73-3 PubChem CID: 25220760 Formula: C14H18BrNO3 Molecular Weight: 328.2
    Out of Stock Item #: T636035
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    IUPAC Name
    tert-butyl 7-bromo-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
    SMILES
    CC(C)(C)OC(=O)N1CCOC2=C(C1)C=C(C=C2)Br
    InChIKey
    GOTCHZNAPXYRGA-UHFFFAOYSA-N
    InChI
    1S/C14H18BrNO3/c1-14(2,3)19-13(17)16-6-7-18-12-5-4-11(15)8-10(12)9-16/h4-5,8H,6-7,9H2,1-3H3
    Synonyms
    1,1-Dimethylethyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate | tert-Butyl-7-bromo-2,3-dihydrobenzo[f][1,...
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